Re: [AMBER] Nose Hoover thermostat

From: case <case.biomaps.rutgers.edu>
Date: Mon, 25 Oct 2010 08:32:14 -0400

On Sun, Oct 24, 2010, Sangita Kachhap wrote:
>
> Is Nose Hoover (ntt=4)thermostat is implemented in amber11 and can I use
> it for MD simulation.

As far as I know, this has only been tested for path integral MD. I'm cc-ing
this to Francesco Paesani to see if he has comments.

...regards...dac


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Received on Mon Oct 25 2010 - 06:00:04 PDT
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